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3-(4-fluorobenzyl)-1-methyl-9-(3-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
SpectraBase Compound ID 4S6jP6U3kF7
InChI InChI=1S/C23H22FN5O2/c1-15-5-3-6-18(13-15)27-11-4-12-28-19-20(25-22(27)28)26(2)23(31)29(21(19)30)14-16-7-9-17(24)10-8-16/h3,5-10,13H,4,11-12,14H2,1-2H3
InChIKey VMTHVAACFPCQCM-UHFFFAOYSA-N
Mol Weight 419.46 g/mol
Molecular Formula C23H22FN5O2
Exact Mass 419.175753 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HCgsPLpbecH
Name 3-(4-fluorobenzyl)-1-methyl-9-(3-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C23H22FN5O2/c1-15-5-3-6-18(13-15)27-11-4-12-28-19-20(25-22(27)28)26(2)23(31)29(21(19)30)14-16-7-9-17(24)10-8-16/h3,5-10,13H,4,11-12,14H2,1-2H3
InChIKey VMTHVAACFPCQCM-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_13424
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D88041; Labnumber: SC_0369-1378; SBI_ID: SBI-013427
Temperature 308 °C